LMST01031388
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.8751   -8.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9595   -9.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9595  -10.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8751  -10.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7908  -10.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7066  -10.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6224  -10.4226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6224   -9.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7066   -8.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7908   -9.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7066   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6224   -7.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5379   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5379   -8.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3694   -8.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3694   -7.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4537   -7.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5379   -6.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7908   -8.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4537   -6.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1863   -5.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0468   -6.9082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3044  -10.8007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6865   -9.7259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5379   -9.6571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5926   -6.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1863   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0256   -4.5280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0256   -3.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8649   -3.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1863   -3.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3470   -4.5280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8649   -5.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 20  1  0     0  0
 20 21  2  0     0  0
  1 10  1  0     0  0
  5 10  1  0     0  0
  9 10  1  0     0  0
  8 14  1  0     0  0
 13 17  1  0     0  0
 13 18  1  1     0  0
 10 19  1  1     0  0
 17 22  1  6     0  0
  3 23  1  1     0  0
  9 24  1  6     0  0
 14 25  1  6     0  0
 20 26  1  0     0  0
 21 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 29 31  1  0     0  0
 27 32  1  6     0  0
 28 33  1  1     0  0
M  END
> <LM_ID>
LMST01031388

> <COMMON_NAME>
Periconoid A

> <SYSTEMATIC_NAME>
ergosta-5,7,20(22)E-trien-3beta,23R-diol

> <FORMULA>
C28H44O2

> <MASS>
412.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MWECIFUFIXTCGJ-PAYAZDFSSA-N

> <INCHI>
InChI=1S/C28H44O2/c1-17(2)19(4)26(30)15-18(3)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7-8,15,17,19,21,23-26,29-30H,9-14,16H2,1-6H3/b18-15+/t19-,21+,23-,24+,25+,26+,27+,28-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(/C(/C)=C/[C@H](O)[C@H](C)C(C)C)CC[C@@]4([H])C3=CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2491360

> <CITATION>
42505992

$$$$